(4-methoxy-3-methylphenyl)methanesulfonyl chloride

C9H11ClO3S — CID 82239883

IUPAC(4-methoxy-3-methylphenyl)methanesulfonyl chloride
SMILESCOc1ccc(CS(=O)(=O)Cl)cc1C
InChIInChI=1S/C9H11ClO3S/c1-7-5-8(6-14(10,11)12)3-4-9(7)13-2/h3-5H,6H2,1-2H3
InChIKeyVSEMIGACJBBQDM-UHFFFAOYSA-N
MW234.70 g/mol
LogP2.07
Rot. Bonds3

About (4-methoxy-3-methylphenyl)methanesulfonyl chloride

(4-methoxy-3-methylphenyl)methanesulfonyl chloride (PubChem CID 82239883) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)methanesulfonyl chloride
PubChem CID82239883
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name(4-methoxy-3-methylphenyl)methanesulfonyl chloride
SMILESCOc1ccc(CS(=O)(=O)Cl)cc1C
InChIInChI=1S/C9H11ClO3S/c1-7-5-8(6-14(10,11)12)3-4-9(7)13-2/h3-5H,6H2,1-2H3
InChIKeyVSEMIGACJBBQDM-UHFFFAOYSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3-methylphenyl)methanesulfonamide
CID 114999092
(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride
CID 165446004
[3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride
CID 117458194
(4-hydroxy-3-methylphenyl)methanesulfonyl chloride
CID 117315045
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
(2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 84698165
N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110779823
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
(3-amino-4-methylphenyl)methanesulfonyl chloride
CID 117117261
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
1-chloro-3-(4-methoxy-3-methylphenyl)propan-2-one
CID 134627536

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (4-methoxy-3-methylphenyl)methanesulfonyl chloride (CID 82239883) is (4-methoxy-3-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-methoxy-3-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-methoxy-3-methylphenyl)methanesulfonyl chloride is COc1ccc(CS(=O)(=O)Cl)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)methanesulfonyl chloride?
The InChIKey is VSEMIGACJBBQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-7-5-8(6-14(10,11)12)3-4-9(7)13-2/h3-5H,6H2,1-2H3.
What are the key properties of (4-methoxy-3-methylphenyl)methanesulfonyl chloride?
(4-methoxy-3-methylphenyl)methanesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 82239883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).